Geometry & MOs

Info

ID:	14073
PubChem CID:	403545
Reduced:	ClNOH16C24 (1)
Stoich.:	ABCD16E24 (1)
Weight, g/mol:	369.092042
ΔH_f, kcal/mol:	83.98
Dipole, Da:	2.9
IP(EA), eV:	-8.03(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-(2-methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-17-yl)methanone

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C3C1=CC=C3)C4=CC=CC=C4N2C(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations